4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

C16H24ClFN2O — CID 119510877

IUPAC4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(8-9-13-5-2-3-7-15(13)17)16(20)19-11-14-6-4-10-18-14;/h2-3,5,7,12,14,18H,4,6,8-11H2,1H3,(H,19,20);1H
InChIKeyWUZYIHWJDGCSDB-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.68
Rot. Bonds6

About 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119510877) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
PubChem CID119510877
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(8-9-13-5-2-3-7-15(13)17)16(20)19-11-14-6-4-10-18-14;/h2-3,5,7,12,14,18H,4,6,8-11H2,1H3,(H,19,20);1H
InChIKeyWUZYIHWJDGCSDB-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (CID 119510877) is 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is CC(CCc1ccccc1F)C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is WUZYIHWJDGCSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-12(8-9-13-5-2-3-7-15(13)17)16(20)19-11-14-6-4-10-18-14;/h2-3,5,7,12,14,18H,4,6,8-11H2,1H3,(H,19,20);1H.
What are the key properties of 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119510877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).